⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL759662 | 0.82 | — | — | |
| SCHEMBL35721 | 0.70 | TTR (0.32) | — | |
| SCHEMBL35617 | 0.70 | TTR (0.32) | — | |
| SCHEMBL8592740 | 0.70 | TTR (0.32) | — | |
| Oxirane SCHEMBL2393423 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL9501078 | 0.67 | — | — | |
| SCHEMBL1546956 | 0.67 | — | — | |
| SCHEMBL20751 | 0.67 | — | — | |
| Fluoride SCHEMBL29154662 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL168139 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7576229-B2 | Hydroxyalkyl-functionalized fillers | WACKER CHEMIE AG (DE) | 2009-08-18 | — | — | US | disclosed |
| US-20080139833-A1 | Hydroxyalkyl-Functionalized Fillers | WACKER CHEMIE AG (DE) | 2008-06-12 | — | — | US | disclosed |